GCMC in 2D

Dear all,

How can I extend the fix gcmc to work also in 2D?

I guess the reason that it only operates in 3D is that the internal MC
translation and rotation moves are designed for 3D and therefore they
will inevitably lead to a 3D dynamics. Is this right?


I’ve forwarded your Q to Aidan - he may not be reading
email immediately, but will respond at some point.


The original code was written for the 3D case, but there is no fundamental limitation. It would not be hard to add in conditional code for 2D, but I doubt there is much demand for it. The main requirement would be to turn off the reassignment of z coordinates in translations, rotations, and insertions.